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Compound Detail

CHEMBL314377

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CCOP(=O)(OCC)C(=O)Oc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314377
Phase Preclinical
Structure Type MOL
InChI Key JXVODAWCJBNFSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.2
MW (Da)
3.46
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17O6P
MW 288.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
6298425 10.1021/jm00356a028 DNA polymerase catalytic subunit 1
6298425 10.1021/jm00356a028 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine